2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-ethoxypropyl)-5-[(2-fluorophenyl)carbonylamino]benzamide

Systemtic Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-ethoxypropyl)-5-[(2-fluorophenyl)carbonylamino]benzamide Openeye Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-ethoxypropyl)-5-[(2-fluorobenzoyl)amino]benzamide CAS Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-ethoxypropyl)-5-[[(2-fluorophenyl)-oxomethyl]amino]benzamide IUPAC Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-ethoxypropyl)-5-[(2-fluorobenzoyl)amino]benzamide Traditional Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-ethoxypropyl)-5-[(2-fluorobenzoyl)amino]benzamide Formula: C28H30FN3O3 MolecularWeight: 475.554503

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCNC(=O)C1=C(C=CC(=C1)NC(=O)C2=CC=CC=C2F)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CCOCCCNC(=O)C1=C(C=CC(=C1)NC(=O)C2=CC=CC=C2F)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C28H30FN3O3/c1-2-35-17-7-15-30-27(33)24-18-22(31-28(34)23-10-5-6-11-25(23)29)12-13-26(24)32-16-14-20-8-3-4-9-21(20)19-32/h3-6,8-13,18H,2,7,14-17,19H2,1H3,(H,30,33)(H,31,34)